SCHEMBL20550442

SCHEMBL20550442

CCCCc1ccc(-c2nc(C)c(-c3ccnc(S(C)(=O)=O)n3)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.39
KDM4E B2RXH2 4/20 0.37
RAB9A P51151 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MAPK14 Q16539 2/20 0.35
AKT1 P31749 1/20 0.34
CDK4 P11802 2/20 0.34
CDK2 P24941 2/20 0.34
AURKA O14965 1/20 0.34
CDK1 P06493 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20550274 0.82 COMT (0.41) COMTKDM4ERAB9AGLAGAA
SCHEMBL20550293 0.82 CDK4 (0.54) COMTKDM4ERAB9AGLAGAA
SCHEMBL20550126 0.81 TNF (0.40) COMTKDM4ERAB9AGLAGAA
SCHEMBL20550291 0.81 CDK2 (0.46) COMTIKBKBCHUKCDK4CDK2
SCHEMBL20550693 0.80 KDM4E (0.40) COMTKDM4ERAB9AGLAGAA
SCHEMBL20550428 0.79 CDK2 (0.41) COMTKDM4ERAB9AGLAGAA
SCHEMBL20550326 0.77 ALDH1A1 (0.47) COMTKDM4ERAB9AL3MBTL1SMN1; SMN2
SCHEMBL20550696 0.77 MKNK2 (0.39) COMTKDM4ERAB9AGLAGAA
SCHEMBL20550433 0.77 HRH3 (0.39) COMTKDM4ERAB9AGLAGAA
SCHEMBL20550108 0.76 MEN1 (0.41) COMTIKBKBCHUKCDK4CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2018-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF TPMT, TST, CLPP COMT 713/4885KDM4E 1008/4885RAB9A 4466/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP COMT 776/4885KDM4E 938/4885RAB9A 4396/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.